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Naphthalene-1-thiol

CAT: 0127-OR20008-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR20008-01Size:100 mg
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CAS Number
529-36-2
MDL Number
MFCD00039599
Purity
99%
Smiles
Sc1cccc2ccccc12

Chemical Information

1-Naphthalenethiol

structure in first source

CAS Number529-36-2
PubChem CID68259
IUPAC Namenaphthalene-1-thiol
Molecular FormulaC10H8S
Molecular Weight160.24
XLogP3.8
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
C1=CC=C2C(=C1)C=CC=C2S
InChI
InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKey
SEXOVMIIVBKGGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Naphthalenethiol
CAS: 529-36-2
CID: 68259
Formula: C10H8S
MW: 160.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.24
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass160.03467143
Monoisotopic Mass160.03467143
Topological Polar Surface Area1 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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